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Title: Materials Data on Sr5Mg by Materials Project

Abstract

Sr5Mg crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a 2-coordinate geometry to five Sr and two equivalent Mg atoms. There are a spread of Sr–Sr bond distances ranging from 4.10–4.29 Å. Both Sr–Mg bond lengths are 3.63 Å. In the second Sr site, Sr is bonded in a 2-coordinate geometry to three Sr and two equivalent Mg atoms. There are one shorter (3.92 Å) and two longer (3.99 Å) Sr–Sr bond lengths. Both Sr–Mg bond lengths are 3.61 Å. In the third Sr site, Sr is bonded in a 2-coordinate geometry to four Sr and two equivalent Mg atoms. There are two shorter (4.05 Å) and two longer (4.38 Å) Sr–Sr bond lengths. Both Sr–Mg bond lengths are 3.79 Å. In the fourth Sr site, Sr is bonded in a 8-coordinate geometry to eight Sr atoms. Both Sr–Sr bond lengths are 4.10 Å. In the fifth Sr site, Sr is bonded to ten Sr and two equivalent Mg atoms to form a mixture of distorted face and corner-sharing SrSr10Mg2 cuboctahedra. Both Sr–Sr bond lengths are 4.41 Å. Both Sr–Mg bond lengthsmore » are 3.98 Å. Mg is bonded in a distorted body-centered cubic geometry to eight Sr atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1094372
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr5Mg; Mg-Sr
OSTI Identifier:
1747824
DOI:
https://doi.org/10.17188/1747824

Citation Formats

The Materials Project. Materials Data on Sr5Mg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747824.
The Materials Project. Materials Data on Sr5Mg by Materials Project. United States. doi:https://doi.org/10.17188/1747824
The Materials Project. 2020. "Materials Data on Sr5Mg by Materials Project". United States. doi:https://doi.org/10.17188/1747824. https://www.osti.gov/servlets/purl/1747824. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1747824,
title = {Materials Data on Sr5Mg by Materials Project},
author = {The Materials Project},
abstractNote = {Sr5Mg crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a 2-coordinate geometry to five Sr and two equivalent Mg atoms. There are a spread of Sr–Sr bond distances ranging from 4.10–4.29 Å. Both Sr–Mg bond lengths are 3.63 Å. In the second Sr site, Sr is bonded in a 2-coordinate geometry to three Sr and two equivalent Mg atoms. There are one shorter (3.92 Å) and two longer (3.99 Å) Sr–Sr bond lengths. Both Sr–Mg bond lengths are 3.61 Å. In the third Sr site, Sr is bonded in a 2-coordinate geometry to four Sr and two equivalent Mg atoms. There are two shorter (4.05 Å) and two longer (4.38 Å) Sr–Sr bond lengths. Both Sr–Mg bond lengths are 3.79 Å. In the fourth Sr site, Sr is bonded in a 8-coordinate geometry to eight Sr atoms. Both Sr–Sr bond lengths are 4.10 Å. In the fifth Sr site, Sr is bonded to ten Sr and two equivalent Mg atoms to form a mixture of distorted face and corner-sharing SrSr10Mg2 cuboctahedra. Both Sr–Sr bond lengths are 4.41 Å. Both Sr–Mg bond lengths are 3.98 Å. Mg is bonded in a distorted body-centered cubic geometry to eight Sr atoms.},
doi = {10.17188/1747824},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}